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Commit e344b1ce authored by Santiago Rigamonti's avatar Santiago Rigamonti
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add data for sige

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with 230 additions and 0 deletions
example-data/sige2/1/energy 0 → 100755
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-26309.2192308
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example-data/sige2/1/str.out 0 → 100755
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example-data/sige2/10/energy 0 → 100755
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-24502.1113062
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example-data/sige2/10/str.out 0 → 100755
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0.000000000000 5.587062500000 5.587062500000
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0.625000000000 0.125000000000 0.625000000000 Si
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example-data/sige2/11/energy 0 → 100755
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-28116.3195976
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example-data/sige2/11/str.out 0 → 100755
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0.000000000000 5.615437500000 5.615437500000
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0.125000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.625000000000 0.625000000000 Si
0.625000000000 0.125000000000 0.625000000000 Si
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0.500000000000 0.000000000000 0.500000000000 Ge
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example-data/sige2/12/energy 0 → 100755
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-29923.4231783
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example-data/sige2/12/str.out 0 → 100755
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0.000000000000 5.629625000000 5.629625000000
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0.125000000000 0.125000000000 0.625000000000 Ge
0.125000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.125000000000 0.125000000000 Ge
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0.625000000000 0.125000000000 0.625000000000 Si
0.625000000000 0.625000000000 0.125000000000 Si
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0.000000000000 0.500000000000 0.500000000000 Ge
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0.500000000000 0.500000000000 0.000000000000 Ge
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/13/energy 0 → 100755
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-31730.5279079
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example-data/sige2/13/str.out 0 → 100755
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0.000000000000 5.643812500000 5.643812500000
5.643812500000 0.000000000000 5.643812500000
5.643812500000 5.643812500000 0.000000000000
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0.125000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.625000000000 0.625000000000 Ge
0.625000000000 0.125000000000 0.625000000000 Ge
0.625000000000 0.625000000000 0.125000000000 Ge
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0.500000000000 0.500000000000 0.000000000000 Si
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example-data/sige2/14/energy 0 → 100755
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-19080.7915442
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example-data/sige2/14/str.out 0 → 100755
+ 22
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0.000000000000 5.544500000000 5.544500000000
5.544500000000 0.000000000000 5.544500000000
5.544500000000 5.544500000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000
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0.125000000000 0.125000000000 0.125000000000 Si
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0.625000000000 0.125000000000 0.125000000000 Si
0.125000000000 0.625000000000 0.625000000000 Si
0.625000000000 0.125000000000 0.625000000000 Si
0.625000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.625000000000 0.625000000000 Si
0.000000000000 0.500000000000 0.500000000000 Ge
0.500000000000 0.000000000000 0.500000000000 Ge
0.500000000000 0.500000000000 0.000000000000 Si
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/15/energy 0 → 100755
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-11852.3390725
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example-data/sige2/15/str.out 0 → 100755
+ 22
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0.000000000000 5.487750000000 5.487750000000
5.487750000000 0.000000000000 5.487750000000
5.487750000000 5.487750000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000
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0.125000000000 0.625000000000 0.625000000000 Si
0.625000000000 0.125000000000 0.625000000000 Si
0.625000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.625000000000 0.625000000000 Ge
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0.500000000000 0.500000000000 0.000000000000 Si
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/16/energy 0 → 100755
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-19080.7890701
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example-data/sige2/16/str.out 0 → 100755
+ 22
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0.000000000000 5.544500000000 5.544500000000
5.544500000000 0.000000000000 5.544500000000
5.544500000000 5.544500000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000
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0.125000000000 0.125000000000 0.125000000000 Si
0.125000000000 0.125000000000 0.625000000000 Si
0.125000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.625000000000 0.625000000000 Ge
0.625000000000 0.125000000000 0.625000000000 Ge
0.625000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.625000000000 0.625000000000 Si
0.000000000000 0.500000000000 0.500000000000 Si
0.500000000000 0.000000000000 0.500000000000 Ge
0.500000000000 0.500000000000 0.000000000000 Si
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/17/energy 0 → 100755
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-26309.2157134
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example-data/sige2/17/str.out 0 → 100755
+ 22
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0.000000000000 5.601250000000 5.601250000000
5.601250000000 0.000000000000 5.601250000000
5.601250000000 5.601250000000 0.000000000000
1.000000000000 0.000000000000 0.000000000000
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0.125000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.125000000000 0.625000000000 Si
0.125000000000 0.625000000000 0.125000000000 Ge
0.625000000000 0.125000000000 0.125000000000 Ge
0.125000000000 0.625000000000 0.625000000000 Ge
0.625000000000 0.125000000000 0.625000000000 Ge
0.625000000000 0.625000000000 0.125000000000 Si
0.625000000000 0.625000000000 0.625000000000 Ge
0.000000000000 0.500000000000 0.500000000000 Ge
0.500000000000 0.000000000000 0.500000000000 Si
0.500000000000 0.500000000000 0.000000000000 Ge
0.500000000000 0.500000000000 0.500000000000 Ge
example-data/sige2/18/energy 0 → 100755
+ 1
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-11852.3415096
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example-data/sige2/18/str.out 0 → 100755
+ 22
− 0
View file @ e344b1ce
0.000000000000 5.487750000000 5.487750000000
5.487750000000 0.000000000000 5.487750000000
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